10-hydroxy-1,2,3,4,6,11-hexahydroindeno[1,2-c]isoquinolin-5-one;thiomorpholin-4-ylmethanol

C21H26N2O3S — CID 68572179

IUPAC10-hydroxy-1,2,3,4,6,11-hexahydroindeno[1,2-c]isoquinolin-5-one;thiomorpholin-4-ylmethanol
SMILESO=c1[nH]c2c(c3c1CCCC3)Cc1c(O)cccc1-2.OCN1CCSCC1
InChIInChI=1S/C16H15NO2.C5H11NOS/c18-14-7-3-6-10-12(14)8-13-9-4-1-2-5-11(9)16(19)17-15(10)13;7-5-6-1-3-8-4-2-6/h3,6-7,18H,1-2,4-5,8H2,(H,17,19);7H,1-5H2
InChIKeyNJIYANVMIYXZLD-UHFFFAOYSA-N
MW386.52 g/mol
LogP2.52
Rot. Bonds1

About 10-hydroxy-1,2,3,4,6,11-hexahydroindeno[1,2-c]isoquinolin-5-one;thiomorpholin-4-ylmethanol

10-hydroxy-1,2,3,4,6,11-hexahydroindeno[1,2-c]isoquinolin-5-one;thiomorpholin-4-ylmethanol (PubChem CID 68572179) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is 10-hydroxy-1,2,3,4,6,11-hexahydroindeno[1,2-c]isoquinolin-5-one;thiomorpholin-4-ylmethanol.

Molecular Properties

Compound Name10-hydroxy-1,2,3,4,6,11-hexahydroindeno[1,2-c]isoquinolin-5-one;thiomorpholin-4-ylmethanol
PubChem CID68572179
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC Name10-hydroxy-1,2,3,4,6,11-hexahydroindeno[1,2-c]isoquinolin-5-one;thiomorpholin-4-ylmethanol
SMILESO=c1[nH]c2c(c3c1CCCC3)Cc1c(O)cccc1-2.OCN1CCSCC1
InChIInChI=1S/C16H15NO2.C5H11NOS/c18-14-7-3-6-10-12(14)8-13-9-4-1-2-5-11(9)16(19)17-15(10)13;7-5-6-1-3-8-4-2-6/h3,6-7,18H,1-2,4-5,8H2,(H,17,19);7H,1-5H2
InChIKeyNJIYANVMIYXZLD-UHFFFAOYSA-N
XLogP2.52
TPSA76.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 10-hydroxy-1,2,3,4,6,11-hexahydroindeno[1,2-c]isoquinolin-5-one;thiomorpholin-4-ylmethanol?
The IUPAC name of 10-hydroxy-1,2,3,4,6,11-hexahydroindeno[1,2-c]isoquinolin-5-one;thiomorpholin-4-ylmethanol (CID 68572179) is 10-hydroxy-1,2,3,4,6,11-hexahydroindeno[1,2-c]isoquinolin-5-one;thiomorpholin-4-ylmethanol.
What is the SMILES notation for 10-hydroxy-1,2,3,4,6,11-hexahydroindeno[1,2-c]isoquinolin-5-one;thiomorpholin-4-ylmethanol?
The canonical SMILES for 10-hydroxy-1,2,3,4,6,11-hexahydroindeno[1,2-c]isoquinolin-5-one;thiomorpholin-4-ylmethanol is O=c1[nH]c2c(c3c1CCCC3)Cc1c(O)cccc1-2.OCN1CCSCC1.
What is the InChIKey of 10-hydroxy-1,2,3,4,6,11-hexahydroindeno[1,2-c]isoquinolin-5-one;thiomorpholin-4-ylmethanol?
The InChIKey is NJIYANVMIYXZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2.C5H11NOS/c18-14-7-3-6-10-12(14)8-13-9-4-1-2-5-11(9)16(19)17-15(10)13;7-5-6-1-3-8-4-2-6/h3,6-7,18H,1-2,4-5,8H2,(H,17,19);7H,1-5H2.
What are the key properties of 10-hydroxy-1,2,3,4,6,11-hexahydroindeno[1,2-c]isoquinolin-5-one;thiomorpholin-4-ylmethanol?
10-hydroxy-1,2,3,4,6,11-hexahydroindeno[1,2-c]isoquinolin-5-one;thiomorpholin-4-ylmethanol has a molecular weight of 386.52 g/mol, XLogP of 2.52, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-hydroxy-1,2,3,4,6,11-hexahydroindeno[1,2-c]isoquinolin-5-one;thiomorpholin-4-ylmethanol is sourced from PubChem (CID 68572179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).